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三油酸甘油酯CAS号 : 122-32-7分子式: C57H104O6 分子量: 885.44IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoateSMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCCInChIKey: PHYFQTYBJUILEZ-IUPFWZBJSA-NInChI: InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
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D-葡萄糖-1,2,3,4,5,6,6-d7CAS号 : 23403-54-5分子式: C6H5D7O6 分子量: 187.2IUPAC Name: (3R,4S,5S,6R)-2,3,4,5,6-pentadeuterio-6-[dideuterio(hydroxy)methyl]oxane-2,3,4,5-tetrolSMILES: C(C1C(C(C(C(O1)O)O)O)O)OInChIKey: WQZGKKKJIJFFOK-QCQRZMBHSA-NInChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i1D2,2D,3D,4D,5D,6D
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N-反式咖啡酰酪胺CAS号 : 103188-48-3 Compound CID : 9994897分子式: C17H17NO4 分子量: 299.32IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamideSMILES: C1=CC(=CC=C1CCNC(=O)C=CC2=CC(=C(C=C2)O)O)OInChIKey: VSHUQLRHTJOKTA-XBXARRHUSA-NInChI: InChI=1S/C17H17NO4/c19-14-5-1-12(2-6-14)9-10-18-17(22)8-4-13-3-7-15(20)16(21)11-13/h1-8,11,19-21H,9-10H2,(H,18,22)/b8-4+
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脱氢枞胺CAS号 : 1446-61-3分子式: C20H31N 分子量: 285.48IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamineSMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)CInChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-NInChI: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
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麦可甙CAS号 : 51005-44-8 Compound CID : 12002015分子式: C25H30O13 分子量: 538.5IUPAC Name: [(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoateSMILES: COC1=C(C=C(C=C1)C=CC(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)OInChIKey: LRHHPZILMPIMIY-GGKKSNITSA-NInChI: InChI=1S/C25H30O13/c1-33-14-4-2-11(8-13(14)28)3-5-16(29)36-21-12-6-7-34-23(17(12)25(10-27)22(21)38-25)37-24-20(32)19(31)18(30)15(9-26)35-24/h2-8,12,15,17-24,26-28,30-32H,9-10H2,1H3/b5-3+/t12-,15-,17-,18-,19+,20-,21+,22+,23+,24+,25-/m1/s1